Geometry & MOs

Info

ID:	142193
PubChem CID:	52998449
Reduced:	ClSO3N5H22C23 (1)
Stoich.:	ABC3D5E22F23 (1)
Weight, g/mol:	463.294725
ΔH_f, kcal/mol:	11.4
Dipole, Da:	8.09
IP(EA), eV:	-8.16(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1/C(=C\2/C=C3C=C(C=CC3=N2)Cl)/NN=C1SCC(=O)NCC4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations